1-[(2-chlorophenyl)methyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[(2-chlorophenyl)methyl]piperazine-2-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(2-chlorobenzyl)piperazine-2-carboxylic acid Formula: C20H21ClN2O4 MolecularWeight: 388.84474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN2O4/c21-17-9-5-4-8-16(17)12-22-10-11-23(13-18(22)19(24)25)20(26)27-14-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,24,25)